OPUS-TASS: a protein backbone torsion angles and secondary structure predictor based on ensemble neural networks.

Journal: Bioinformatics (Oxford, England)
Published Date:

Abstract

MOTIVATION: Predictions of protein backbone torsion angles (ϕ and ψ) and secondary structure from sequence are crucial subproblems in protein structure prediction. With the development of deep learning approaches, their accuracies have been significantly improved. To capture the long-range interactions, most studies integrate bidirectional recurrent neural networks into their models. In this study, we introduce and modify a recently proposed architecture named Transformer to capture the interactions between the two residues theoretically with arbitrary distance. Moreover, we take advantage of multitask learning to improve the generalization of neural network by introducing related tasks into the training process. Similar to many previous studies, OPUS-TASS uses an ensemble of models and achieves better results.

Authors

  • Gang Xu
    University Hospitals of Leicester NHS Trust; UK.
  • Qinghua Wang
  • Jianpeng Ma
    Multiscale Research Institute of Complex Systems, Fudan University, Shanghai 200433, China.